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Analysis: 1H NMR 500 MHz

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,6-Anhydro-B-D-glucose-ME102630----
1-Methylnicotinamide1-Methyl nicotinamideME102631457C02918--
2-Aminobutyrate2-Aminobutyric acidME1026326657---
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME10263311671---
2-OxoglutarateOxoglutaric acidME10263451C00026--
3-Aminoisobutyrate3-Amino-isobutanoic acidME10263564956C05145--
3-Hydroxybutyrate3-Hydroxybutyric acidME102636441C01089--
3-Hydroxyisovalerate3-Hydroxyisovaleric acidME10263769362---
3-IndoxylsulfateIndoxyl sulfateME10263810258---
4-Hydroxyphenylacetatep-Hydroxyphenylacetic acidME102639127C00642--
AcetateAcetic acidME102640176C00033--
AcetoacetateAcetoacetic acidME10264196C00164--
AcetoneAcetoneME102642180C00207--
AlanineAlanineME1026435950C00041--
AscorbateVitamin CME10264454670067C00072--
BetaineBetaineME102645247C00719--
CarnitineCarnitineME102646288---
CholineCholineME102647305C00114--
cis-Aconitatecis-Aconitic acidME102685643757C00417--
CitrateCitric acidME102648311C00158--
CreatineCreatineME102649586C00300--
CreatinineCreatinineME102650588C00791--
DimethylamineDimethylamineME102651674C00543--
EthanolamineEthanolamineME102652700C00189--
EthylmalonateMonoethyl malonic acidME10265370615---
FormateFormic acidME102654284C00058--
FucoseFucoseME10265519466C01019--
GlucoseGlucoseME1026565793C00031--
GlycerolGlycerolME102657753C00116--
GlycineGlycineME102658750C00037--
HippurateHippuric acidME102659464C01586--
HistidineHistidineME1026606274C00135--
HypoxanthineHypoxanthineME102661790C00262--
IsoleucineIsoleucineME1026626306C00407--
LactateLactic acidME102663107689C00186--
LeucineLeucineME1026646106C00123--
LysineLysineME1026655962C00047--
MannitolMannitolME1026666251C00392--
MethanolMethanolME102667887C00132--
myo-InositolMyo-inositolME102686892C00137--
N-Isovaleroylglycine-ME102669----
N,N-DimethylglycineDimethylglycineME102668673C01026--
O-AcetylcarnitineCAR(2:0)ME1026701C02571--
PantothenatePantothenic acidME102671988C00864--
p-Methylhistidine1-MethylhistidineME102687----
PyroglutamatePyroglutamic acidME1026727405C01879--
SerineSerineME1026735951C00065--
SuccinateSuccinic acidME1026741110C00042--
TartrateTartaric acidME102675444305C00898--
TaurineTaurineME1026761123C00245--
ThreonineThreonineME1026776288C00188--
t-Methylhistidine3-MethylhistidineME102688----
TrigonellineTrigonellineME1026785570C01004--
Trimethylamine N-oxideTrimethylamine N-oxideME1026791145C01104--
TryptophanTryptophanME1026806305C00078--
TyrosineTyrosineME1026816057C00082--
UracilUracilME1026821174C00106--
UreaUreaME1026831176C00086--
ValineValineME1026846287C00183--


Analysis: 1H NMR 600 MHz

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,6-Anhydro-B-D-glucose-ME102630----
1-Methylnicotinamide1-Methyl nicotinamideME102631457C02918--
2-Aminobutyrate2-Aminobutyric acidME1026326657---
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME10263311671---
2-OxoglutarateOxoglutaric acidME10263451C00026--
3-Aminoisobutyrate3-Amino-isobutanoic acidME10263564956C05145--
3-Hydroxybutyrate3-Hydroxybutyric acidME102636441C01089--
3-Hydroxyisovalerate3-Hydroxyisovaleric acidME10263769362---
3-IndoxylsulfateIndoxyl sulfateME10263810258---
4-Hydroxyphenylacetatep-Hydroxyphenylacetic acidME102639127C00642--
AcetateAcetic acidME102640176C00033--
AcetoacetateAcetoacetic acidME10264196C00164--
AcetoneAcetoneME102642180C00207--
AlanineAlanineME1026435950C00041--
AscorbateVitamin CME10264454670067C00072--
BetaineBetaineME102645247C00719--
CarnitineCarnitineME102646288---
CholineCholineME102647305C00114--
cis-Aconitatecis-Aconitic acidME102685643757C00417--
CitrateCitric acidME102648311C00158--
CreatineCreatineME102649586C00300--
CreatinineCreatinineME102650588C00791--
DimethylamineDimethylamineME102651674C00543--
EthanolamineEthanolamineME102652700C00189--
EthylmalonateMonoethyl malonic acidME10265370615---
FormateFormic acidME102654284C00058--
FucoseFucoseME10265519466C01019--
GlucoseGlucoseME1026565793C00031--
GlycerolGlycerolME102657753C00116--
GlycineGlycineME102658750C00037--
HippurateHippuric acidME102659464C01586--
HistidineHistidineME1026606274C00135--
HypoxanthineHypoxanthineME102661790C00262--
IsoleucineIsoleucineME1026626306C00407--
LactateLactic acidME102663107689C00186--
LeucineLeucineME1026646106C00123--
LysineLysineME1026655962C00047--
MannitolMannitolME1026666251C00392--
MethanolMethanolME102667887C00132--
myo-InositolMyo-inositolME102686892C00137--
N-Isovaleroylglycine-ME102669----
N,N-DimethylglycineDimethylglycineME102668673C01026--
O-AcetylcarnitineCAR(2:0)ME1026701C02571--
PantothenatePantothenic acidME102671988C00864--
p-Methylhistidine1-MethylhistidineME102687----
PyroglutamatePyroglutamic acidME1026727405C01879--
SerineSerineME1026735951C00065--
SuccinateSuccinic acidME1026741110C00042--
TartrateTartaric acidME102675444305C00898--
TaurineTaurineME1026761123C00245--
ThreonineThreonineME1026776288C00188--
t-Methylhistidine3-MethylhistidineME102688----
TrigonellineTrigonellineME1026785570C01004--
Trimethylamine N-oxideTrimethylamine N-oxideME1026791145C01104--
TryptophanTryptophanME1026806305C00078--
TyrosineTyrosineME1026816057C00082--
UracilUracilME1026821174C00106--
UreaUreaME1026831176C00086--
ValineValineME1026846287C00183--


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